SCHEMBL7964639

SCHEMBL7964639

NCc1ccc(NCc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.85
JAK3 P52333 1/20 0.85
JAK1 P23458 6/20 0.72

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2244635 0.92 JAK3 (1.00) JAK2JAK3JAK1
SCHEMBL2238774 0.92 JAK2 (1.00) JAK2JAK3JAK1
SCHEMBL2238480 0.92 JAK2 (0.80) JAK2JAK3JAK1
SCHEMBL2239300 0.92 JAK2 (0.81) JAK2JAK3JAK1
SCHEMBL2236737 0.89 JAK2 (0.80) JAK2JAK3JAK1
SCHEMBL13031660 0.87 JAK3 (0.74) JAK2JAK3JAK1
SCHEMBL2241461 0.87 JAK2 (0.80) JAK2JAK3JAK1
SCHEMBL7963258 0.87 JAK1 (0.80) JAK2JAK3JAK1
SCHEMBL2243535 0.86 JAK2 (0.78) JAK2JAK3JAK1
SCHEMBL2238681 0.86 JAK2 (0.83) JAK2JAK3JAK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010010190-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 WO disclosed